CID 383923

Nsc672879

Structural Information

Molecular Formula
C15H21NO3
SMILES
CN1CCC2=CC(=C(C=C2C(O1)C3CC3)OC)OC
InChI
InChI=1S/C15H21NO3/c1-16-7-6-11-8-13(17-2)14(18-3)9-12(11)15(19-16)10-4-5-10/h8-10,15H,4-7H2,1-3H3
InChIKey
YMUVNYBVMNPMIL-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7,8-dimethoxy-3-methyl-4,5-dihydro-1H-2,3-benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 156.0
[M+Na]+ 286.14135 163.7
[M-H]- 262.14485 164.3
[M+NH4]+ 281.18595 166.2
[M+K]+ 302.11529 166.0
[M+H-H2O]+ 246.14939 148.9
[M+HCOO]- 308.15033 173.5
[M+CH3COO]- 322.16598 202.6
[M+Na-2H]- 284.12680 160.2
[M]+ 263.15158 158.5
[M]- 263.15268 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.